Chemical Physics Letters, Vol.370, No.1-2, 62-67, 2003
Dependence of the electronic transition moment for the C-3 Delta-X-3 Delta system of TiO on the internuclear distance
Intensity distributions of eight vibronic bands associated with upsilon' = 0-3 for the C(3)Delta-X(3)Delta transition of TiO were observed by dispersed emission spectroscopy, and the variation of the electronic transition moment, R-e(r), for the C(3)Delta-X(3)Delta svstem was determined as a function of the internuclear distance r; R-e(r) proportional to {1-2.04(31) (r - r(0)) + 195(43)(r - r(0))(3)} (r(0) = 1.65869 Angstrom and 1.59130 Angstrom less than or equal to r less than or equal to 1.71214 Angstrom). This r-dependence of R-e(r) is discussed in terms of the polarization in the unpaired 10sigma orbital. (C) 2003 Elsevier Science B.V. All rights reserved.